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Target
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Ligand
BDBM50135835
Substrate
n/a
Meas. Tech.
ChEMBL_702118 (CHEMBL1655348)
IC50
4000±n/a nM
Citation
 Deng, L; Endo, K; Kato, M; Cheng, G; Yajima, S; Song, Y Structures of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase/Lipophilic Phosphonate Complexes. ACS Med Chem Lett 2:165-170 (2011) [PubMed]  Article 
Target
Name:
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Synonyms:
1-Deoxy-D-xylulose 5-phosphate reductoisomerase (DXP) | 1-Deoxyxylulose 5-phosphate reductoisomerase (DXR) | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) | 2-C-methyl-D-erythritol 4-phosphate synthase | DXP reductoisomerase | DXR_ECOLI | dxr | ispC | yaeM
Type:
Protein
Mol. Mass.:
43384.52
Organism:
Escherichia coli
Description:
P45568
Residue:
398
Sequence:
MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEASAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTILLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVSILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFNASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFCKLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALNLSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS
  
Inhibitor
Name:
BDBM50135835
Synonyms:
(isoquinolin-1-ylamino)methylenediphosphonic acid | 1-[(Bis-phosphono-methyl)-amino]-isoquinolinium | CHEMBL291727 | [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID
Type:
Small organic molecule
Emp. Form.:
C10H12N2O6P2
Mol. Mass.:
318.1596
SMILES:
OP(O)(=O)C(Nc1nccc2ccccc12)P(O)(O)=O
Structure:
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